%chk=000006865.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006865

0 1
 O   -3.715200     -0.3373000     -6.9999998E-04
 N    2.251700       2.084900     -3.9999999E-04
 C   0.3703000      0.4965000      3.0000001E-04
 C  -7.7600002E-02 -0.8460000      1.9999999E-04
 C    1.749700      0.7603000      9.9999997E-05
 C  -0.5744000       1.535600      3.0000001E-04
 C   -1.457000      -1.109700      1.9999999E-04
 C   0.8671000      -1.885200      9.9999997E-05
 C    2.674300     -0.2846000     -1.9999999E-04
 C   -2.381600     -6.4999998E-02  9.9999997E-05
 C   -1.941100       1.255200      9.9999997E-05
 C    2.233800      -1.604800     -1.9999999E-04
 H  -0.2928000       2.584100      3.0000001E-04
 H   -1.817900      -2.136700      9.9999997E-05
 H   0.5457000      -2.924600      9.9999997E-05
 H    3.742700     -8.3300002E-02 -5.0000002E-04
 H   -2.652000       2.077300     -9.9999997E-05
 H    2.953900      -2.417900     -3.9999999E-04
 H    1.646100       2.891200      1.2000001E-03
 H    3.253200       2.231400       0.000000    
 H   -4.208300      0.5011000     -7.9999998E-04


%chk=000006865-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006865

0 1
O -3.773374 -0.396429 -0.000053
N 2.303247 2.100922 0.000062
C 0.388568 0.531009 -0.000039
C -0.075572 -0.846141 -0.000071
C 1.817138 0.792691 0.000036
C -0.592510 1.573639 -0.000091
C -1.482525 -1.109431 -0.000049
C 0.875343 -1.919328 -0.000136
C 2.717763 -0.292636 -0.000050
C -2.405461 -0.063474 -0.000040
C -1.961371 1.296702 -0.000096
C 2.242751 -1.633560 -0.000160
H -0.289199 2.627199 -0.000251
H -1.845412 -2.142197 -0.000054
H 0.516193 -2.953891 -0.000177
H 3.797325 -0.098379 -0.000014
H -2.692540 2.115862 -0.000172
H 2.971679 -2.452246 -0.000222
H 1.687038 2.905577 0.001027
H 3.305032 2.267826 0.000326
H -4.333514 0.418784 0.000024


